SCHEMBL17586167

SCHEMBL17586167

[2H]n1cnc2ccc(C(=O)c3ccccc3)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
SLC2A1 P11166 1/20 0.49
IP6K1 Q92551 3/20 0.44
IP6K3 Q96PC2 3/20 0.44
IP6K2 Q9UHH9 3/20 0.44
POLB P06746 1/20 0.44
ABL1 P00519 1/20 0.44
FABP6 P51161 1/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
PARP1 P09874 1/20 0.40
CHEK1 O14757 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9195848 0.86 SMN1; SMN2 (0.67) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL17586177 0.81 SLC2A1 (0.73) ALDH1A1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL17586156 0.75 IP6K1 (0.41) SMN1; SMN2SLC2A1IP6K1IP6K3IP6K2
SCHEMBL17586174 0.73 IP6K1 (0.39) SMN1; SMN2SLC2A1IP6K1IP6K3IP6K2
SCHEMBL29406130 0.72 RAB9A (1.00) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL1801617 0.72 RAB9A (1.00) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL17586185 0.71 IP6K1 (0.52) SMN1; SMN2IP6K1IP6K3IP6K2PARP1
SCHEMBL17586159 0.71 IP6K1 (0.46) SMN1; SMN2SLC2A1IP6K1IP6K3IP6K2
SCHEMBL263154 0.70 SLC2A1 (0.74) SMN1; SMN2SLC2A1IP6K1IP6K3IP6K2
SCHEMBL28736625 0.70 KDM4E (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493426-B2 Quinazolinone derivatives useful as FGFR kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-11-15 US disclosed
US-20160075666-A1 QUINAZOLINONE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160075666-A1 QUINAZOLINONE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS FGFR1, FGFR3, FGFR2 ALDH1A1 1971/4885HPGD 1333/4885RAB9A 941/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.